2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine

C17H26ClN — CID 107560993

IUPAC2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCc1ccc(C(C)(C)C2CCC(C)CC2N)cc1Cl
InChIInChI=1S/C17H26ClN/c1-11-5-8-14(16(19)9-11)17(3,4)13-7-6-12(2)15(18)10-13/h6-7,10-11,14,16H,5,8-9,19H2,1-4H3
InChIKeyBDXIBDQYRGKUIL-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.69
Rot. Bonds2

About 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine

2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 107560993) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID107560993
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCc1ccc(C(C)(C)C2CCC(C)CC2N)cc1Cl
InChIInChI=1S/C17H26ClN/c1-11-5-8-14(16(19)9-11)17(3,4)13-7-6-12(2)15(18)10-13/h6-7,10-11,14,16H,5,8-9,19H2,1-4H3
InChIKeyBDXIBDQYRGKUIL-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine (CID 107560993) is 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine is Cc1ccc(C(C)(C)C2CCC(C)CC2N)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is BDXIBDQYRGKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-11-5-8-14(16(19)9-11)17(3,4)13-7-6-12(2)15(18)10-13/h6-7,10-11,14,16H,5,8-9,19H2,1-4H3.
What are the key properties of 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine?
2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 107560993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).